2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile

C18H20N4O — CID 27817792

IUPAC2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H20N4O/c19-12-17-2-1-7-20-18(17)21-13-15-3-5-16(6-4-15)14-22-8-10-23-11-9-22/h1-7H,8-11,13-14H2,(H,20,21)
InChIKeyJTAVMIXDJHOVFN-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.40
Rot. Bonds5

About 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile

2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 27817792) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID27817792
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H20N4O/c19-12-17-2-1-7-20-18(17)21-13-15-3-5-16(6-4-15)14-22-8-10-23-11-9-22/h1-7H,8-11,13-14H2,(H,20,21)
InChIKeyJTAVMIXDJHOVFN-UHFFFAOYSA-N
XLogP2.40
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile (CID 27817792) is 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is JTAVMIXDJHOVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-12-17-2-1-7-20-18(17)21-13-15-3-5-16(6-4-15)14-22-8-10-23-11-9-22/h1-7H,8-11,13-14H2,(H,20,21).
What are the key properties of 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile?
2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 27817792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).